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Receptor
PDB id Resolution Class Description Source Keywords
2FPU 1.8 Å EC: 3.1.3.15 CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF E.COLI HISB- C WITH HISTIDINOL ESCHERICHIA COLI HISTIDINOL PHOSPHATE PHOSPHATASE HISB BIFUNCTIONAL ENZYME.STRUCTURAL GENOMICS BACTERIAL STRUCTURE GENOMICS MONTREALBACTERIAL STRUCTURAL GENOMICS INITIATIVE BSGI HYDROLASE
Ref.: STRUCTURAL SNAPSHOTS OF ESCHERICHIA COLI HISTIDINOL PHOSPHATE PHOSPHATASE ALONG THE REACTION PATHWAY. J.BIOL.CHEM. V. 281 37930 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:502;
B:501;
B:503;
B:504;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
HSO B:509;
Valid;
none;
submit data
142.179 C6 H12 N3 O c1c([...
MG A:507;
B:508;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
ZN A:506;
B:505;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FPU 1.8 Å EC: 3.1.3.15 CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF E.COLI HISB- C WITH HISTIDINOL ESCHERICHIA COLI HISTIDINOL PHOSPHATE PHOSPHATASE HISB BIFUNCTIONAL ENZYME.STRUCTURAL GENOMICS BACTERIAL STRUCTURE GENOMICS MONTREALBACTERIAL STRUCTURAL GENOMICS INITIATIVE BSGI HYDROLASE
Ref.: STRUCTURAL SNAPSHOTS OF ESCHERICHIA COLI HISTIDINOL PHOSPHATE PHOSPHATASE ALONG THE REACTION PATHWAY. J.BIOL.CHEM. V. 281 37930 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2FPU - HSO C6 H12 N3 O c1c([nH+]c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2FPU - HSO C6 H12 N3 O c1c([nH+]c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2FPU - HSO C6 H12 N3 O c1c([nH+]c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HSO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HSO 1 1
2 HIS 0.52381 0.846154
3 DHI 0.52381 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FPU; Ligand: HSO; Similar sites found with APoc: 92
This union binding pocket(no: 1) in the query (biounit: 2fpu.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 6FA4 GNP None
2 5KAX RHQ None
3 5WDR GNP None
4 3NWQ 2NC None
5 3SM2 478 0.568182
6 2VZ6 FEF 1.13636
7 3D72 FAD 2.01342
8 1BDB NAD 2.27273
9 2D4V NAD 2.84091
10 6GKV SAH 2.84091
11 3DMH SAM 2.84091
12 1KQN NAD 2.84091
13 3U7S 017 3.0303
14 5COU ATP 3.40909
15 6BVJ GNP 3.40909
16 5APG EEM 3.40909
17 3F4F UMP 3.59281
18 6D5V GNP 3.59281
19 6BVL GNP 3.59281
20 6D5L GNP 3.59281
21 6D56 GNP 3.59281
22 6D59 GNP 3.59281
23 6BVI GNP 3.59281
24 6BVM GNP 3.59281
25 6D5M GNP 3.59281
26 6BVK GNP 3.59281
27 6D5H GNP 3.59281
28 6D5J GNP 3.59281
29 6D55 GNP 3.59281
30 6D5E GNP 3.59281
31 6D5G GNP 3.59281
32 1NVV GNP 3.61446
33 1COY AND 3.97727
34 4Z24 FAD 3.97727
35 4QNW FMN 3.97727
36 2FFQ GSP 4.09357
37 3WSJ MK1 4.31034
38 5C03 AGS 4.54545
39 4X7Q 3YR 4.54545
40 4IMG NGF 4.54545
41 2ART LPA AMP 4.58015
42 5AHS FAD 5.11364
43 2P4Y C03 5.11364
44 1A8P FAD 5.11364
45 5GM1 SAH 5.11364
46 6ES0 BW8 5.11364
47 2GOU FMN 5.68182
48 4YGF AZM 5.68182
49 1ONI BEZ 5.7971
50 1WKR IVA VAL VAL STA ALA STA 6.25
51 2JAR UMP 6.81818
52 2YPO PHE 6.81818
53 1U3D FAD 6.81818
54 5EB4 FAD 7.38636
55 4N14 WR7 7.38636
56 3CTY FAD 7.38636
57 3KN5 ANP 7.38636
58 1GPE FAD 7.95455
59 4TMC HBA 7.95455
60 4TMC FMN 7.95455
61 1OYB HBA 7.95455
62 4B4D FAD 7.95455
63 5Z2M GTP 7.97101
64 2ODE ALF GDP 8.51064
65 2PGJ N1C 8.52273
66 2E7Z MGD 9.09091
67 5FAL SKT 9.09091
68 5FAL COA 9.09091
69 6GNF ADP 9.09091
70 6ES9 FAD 9.65909
71 4YNU FAD 9.65909
72 6GG9 FMN 10.4938
73 3AHW 2AM 10.5263
74 3QVP FAD 10.7955
75 4KVG GTP 10.7955
76 4L6C 0BT 11.3636
77 1NAA 6FA 11.9318
78 4ZRN NAD 11.9318
79 3I9L N1C 13.0682
80 3RYC GDP 13.0682
81 4ZL4 4PK 13.6364
82 3GDN HBX 13.6364
83 3GDN FAD 13.6364
84 2A9D MTE 15.9091
85 5F3I 5UJ 17.0455
86 4E5N NAD 17.0455
87 2C5L GTP 18.8034
88 4J56 FAD 20.1754
89 5KTC FUH 20.4545
90 5KTC COA 20.4545
91 2AZC 3TL 21.2121
92 3L8G GMB 40.3409
Pocket No.: 2; Query (leader) PDB : 2FPU; Ligand: HSO; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 2fpu.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3S43 478 None
2 4HDQ GNP 4.34783
3 4UP3 FAD 9.65909
Pocket No.: 3; Query (leader) PDB : 2FPU; Ligand: HSO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2fpu.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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